1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C15H25NO3 — CID 10587912

IUPAC1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCCO)cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3
InChIKeyRUZBBQNQBDCLPE-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.35
Rot. Bonds9

About 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10587912) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID10587912
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CCCO)cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3
InChIKeyRUZBBQNQBDCLPE-UHFFFAOYSA-N
XLogP1.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 10587912) is 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(CCCO)cc1.
What is the InChIKey of 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RUZBBQNQBDCLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10587912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).